1-[4-chloro-2-(difluoromethyl)-5-hydroxyphenyl]ethanone

C9H7ClF2O2 — CID 171007258

IUPAC1-[4-chloro-2-(difluoromethyl)-5-hydroxyphenyl]ethanone
SMILESCC(=O)c1cc(O)c(Cl)cc1C(F)F
InChIInChI=1S/C9H7ClF2O2/c1-4(13)5-3-8(14)7(10)2-6(5)9(11)12/h2-3,9,14H,1H3
InChIKeyQLJJTMXGXXIHNQ-UHFFFAOYSA-N
MW220.60 g/mol
LogP3.19
Rot. Bonds2

About 1-[4-chloro-2-(difluoromethyl)-5-hydroxyphenyl]ethanone

1-[4-chloro-2-(difluoromethyl)-5-hydroxyphenyl]ethanone (PubChem CID 171007258) has the molecular formula C9H7ClF2O2 and a molecular weight of 220.60 g/mol. Its IUPAC name is 1-[4-chloro-2-(difluoromethyl)-5-hydroxyphenyl]ethanone.

Molecular Properties

Compound Name1-[4-chloro-2-(difluoromethyl)-5-hydroxyphenyl]ethanone
PubChem CID171007258
Molecular FormulaC9H7ClF2O2
Molecular Weight220.60 g/mol
Exact Mass220.01
IUPAC Name1-[4-chloro-2-(difluoromethyl)-5-hydroxyphenyl]ethanone
SMILESCC(=O)c1cc(O)c(Cl)cc1C(F)F
InChIInChI=1S/C9H7ClF2O2/c1-4(13)5-3-8(14)7(10)2-6(5)9(11)12/h2-3,9,14H,1H3
InChIKeyQLJJTMXGXXIHNQ-UHFFFAOYSA-N
XLogP3.19
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.60
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-chloro-5-(difluoromethoxy)-2-(difluoromethyl)phenyl]ethanone
CID 171006158
2,5-dichloro-4-(difluoromethyl)phenol
CID 119008857
1-[4-(difluoromethyl)-5-hydroxy-2-methylphenyl]ethanone
CID 131330773
1-[2-chloro-3-(difluoromethyl)-5-hydroxyphenyl]ethanone
CID 171007175
1-(5-chloro-4-hydroxy-2-iodophenyl)ethanone
CID 171008729
1-[5-amino-2-(difluoromethyl)-4-methylphenyl]ethanone
CID 170996780
1-[4-bromo-2-(difluoromethyl)-5-methylphenyl]ethanone
CID 131328103
1-[5-chloro-3-(difluoromethyl)-2-iodophenyl]ethanone
CID 171009758
1-[5-bromo-3-(difluoromethyl)-2-hydroxyphenyl]ethanone
CID 131573374
1-[2-chloro-3-(difluoromethyl)-5-methoxyphenyl]ethanone
CID 171002234
1-[3-chloro-5-(difluoromethyl)-4-methylphenyl]ethanone
CID 171005721
1-(2-chloro-5-fluoro-4-hydroxyphenyl)ethanone
CID 171003348

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-2-(difluoromethyl)-5-hydroxyphenyl]ethanone?
The IUPAC name of 1-[4-chloro-2-(difluoromethyl)-5-hydroxyphenyl]ethanone (CID 171007258) is 1-[4-chloro-2-(difluoromethyl)-5-hydroxyphenyl]ethanone.
What is the SMILES notation for 1-[4-chloro-2-(difluoromethyl)-5-hydroxyphenyl]ethanone?
The canonical SMILES for 1-[4-chloro-2-(difluoromethyl)-5-hydroxyphenyl]ethanone is CC(=O)c1cc(O)c(Cl)cc1C(F)F.
What is the InChIKey of 1-[4-chloro-2-(difluoromethyl)-5-hydroxyphenyl]ethanone?
The InChIKey is QLJJTMXGXXIHNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClF2O2/c1-4(13)5-3-8(14)7(10)2-6(5)9(11)12/h2-3,9,14H,1H3.
What are the key properties of 1-[4-chloro-2-(difluoromethyl)-5-hydroxyphenyl]ethanone?
1-[4-chloro-2-(difluoromethyl)-5-hydroxyphenyl]ethanone has a molecular weight of 220.60 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-2-(difluoromethyl)-5-hydroxyphenyl]ethanone is sourced from PubChem (CID 171007258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).